CADASTER Workshop on the development and application of QSAR models with respect to the REACH guidelines
The second CADASTER workshop will be organized in Helmholtz-Zentrum München, Neuherberg, Germany and will take place from October 7th to 9th 2012. It will provide a tutorial to all interested partners, including industry and SMEs, on how to develop new models for the assessment of REACH-end points (in particular for new scaffolds of compounds for which there are no reliable QSAR models) and how to use the software developed by the project participants.
The REACH regulation advocates the use of non-animal testing methods for risk assessment of chemicals, but guidance is needed on how these methods should be used. The procedures include alternative methods such as chemical and biological read-across, in vitro results, in vivo information on analogues, (Q)SARs and exposure based waiving. The concept of Intelligent Testing Strategies (ITS) for regulatory endpoints has been outlined to facilitate the assessment.
CADASTER aims at providing the practical guidance to integrated environmental risk assessment procedures by carrying out a full environmental hazard and risk assessment for chemicals belonging to four selected compound classes. The QSAR models and data produced during the project will be made publicly available and accessible to all interested partners and stakeholders. They will be available as an on-line and standalone tools and will be compatible for integration within the OECD QSAR Toolbox. It will be freely distributed to SMEs and other industrial partners. The support and development of new models will be continued by the company eADMET GmbH.
Workshop materials are available here.
Local Organizing Committee
Registration and poster submission deadline finally extended until September 20th
Registration and poster submission deadline extended until September 14th
To register for the workshop, please visit this site and fill in the form
until 31, August 2012. In case you have problems with the registration, you can also send an eMail containing the required information to workshop2012 [at] cadaster.eu. There is no conference fee.
To submit an abstract for poster presentation, please click here.
There will be two sessions
- Risk assessment
- QSAR / QSPR modelling
The agenda will be as follows:
Sunday, October 7th
|Time||Topic||Speaker||16:00-18:00||Registration and welcome reception at the Helmholtz Zentrum, Building 57|
|19:30-22:00||Guided walk over the Octoberfest|
- Main topic: Data collection and QSAR Model development for REACH
|09:00-09:10||Opening of the workshop. Welcome from the organizers.||Dr. Igor V. Tetko, HMGU, Germany|
|09:15-09:35||Overview of CADASTER: project goals, achievements and lessons||Prof. Willie Peijnenburg, RIVM, The Netherlands|
|09:40-10:10||Reflections on Partnering from the results of the OpenTox and CADASTER projects||Dr. Barry Hardy, Douglas Connect, Switzerland|
|10:15-10:45||Lessons from collection of experimental data and experimental testing in CADASTER||Dr. Mojca Kos Durjava, PHI, Slovenia|
|11:00-11:30||ITS for Environmental Toxicology in REACH||Prof. Gerrit Schüürmann, UFZ Leipzig, Germany|
|11:35-12:05||Development of models according to the OECD principles||Prof. Ester Papa, University of Insubria, Italy|
|12:10-12:40||Development arnd validation of models for TAZ/BTAZ and fragrances||Simona Kovarich, University of Insubria, Italy|
|14:00-14:30||Current and Future Methods to Group Chemicals to Perform Read-Across||Prof. M. Cronin, Liverpool John Moores University, UK|
|14:35-15:05||Uncertainty in QSAR predictions for probabilistic risk assessment||Dr. Ullrika Sahlin, Linneaus University, Sweden|
|15:10-15:40||Applicability domain assessment for QSAR models: status quo and perspectives||Dr. Iurii Sushko, eADMET GmbH, Germany|
|15:55-16:45||Practical training in the use of the QSPR-THESAURUS platform in application of QSAR modeling tools||Dr. Igor V. Tetko, Stefan Brandmaier, HMGU, Germany|
Tuesday, October 9th
- Main topic: Case studies and use of QSARs in the risk assessment
|09:00-09:30||EPA's ToxCast Project: Lessons learned and future directions for use of HTS in predicting in vivo toxicology -- A Chemical Perspective||Dr. Ann Richard, Environmental Protection Agency, USA|
|09:35-10:05||Addressing QSPR uncertainty in chemical exposure and effect assessment - examples from the CADASTER classes||Laura Golsteijn, Radboud University Nijmegen, The Netherlands|
|10:15-10:45||UBA Lessons of using QSAR models with respect to REACH||Dr. Marc Brandt, Umwelt Bundesamt, Germany|
|10:50-11:20||Using SSD approach to quantify uncertainty from QSAR estimates of effects data - examples from the CADASTER classes||Dr. Tom Aldenberg, RIVM, The Netherlands|
|11:30-12:00||Read across estimates - uncertainty in the risk assessment for the CADASTER class of fragrance substances||Dr. Emiel Rorije, RIVM, The Netherlands|
|13:00-13:30||Supporting chemical risk assessments with computational methods: challenges and perspectives||Dr. Andrew Worth, JRC, Italy|
|13:35-14:05||QSAR integrated risk assessment – prioritization within the four CADASTER classes||Dr. Ullrika Sahlin, Linneaus University, Sweden||14:05-14:20||Coffee Break|
|14:20-14:50||Modelling the costs of chemical impacts on wildlife populations: the case of peregrine falcons (Falco peregrinus) exposed to PBDEs||Dr. Aafke Schipper, Radboud University Nijmegen, The Netherlands|
|14:55-15:25||Use of QSAR information available at QSPR-THESAURUS for risk assessment||Pantelis Sopasakis, National Technical University of Athens, Greece|
|15:30-16:00||Panel discussion||Dr. Mike Comber, Mike Comber Consulting, Belgium|
To download the agenda, please click here